N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine

C13H18BrNO — CID 29222762

IUPACN-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
SMILESCCCOc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C13H18BrNO/c1-2-7-16-13-6-3-10(8-12(13)14)9-15-11-4-5-11/h3,6,8,11,15H,2,4-5,7,9H2,1H3
InChIKeyGUYWVPYOPAUWCX-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.49
Rot. Bonds6

About N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine

N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine (PubChem CID 29222762) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
PubChem CID29222762
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
SMILESCCCOc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C13H18BrNO/c1-2-7-16-13-6-3-10(8-12(13)14)9-15-11-4-5-11/h3,6,8,11,15H,2,4-5,7,9H2,1H3
InChIKeyGUYWVPYOPAUWCX-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-propoxyphenyl)methyl]cyclooctanamine
CID 29222775
N-[[3-bromo-4-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 83155824
4-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylbutanamide
CID 63046064
ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 63046576
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050
N-[[3-bromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63046065
N-[(4-nitro-3-propoxyphenyl)methyl]cyclopropanamine
CID 55040963
ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]propanoate
CID 63046063
N-[(3-bromo-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29222747
N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine
CID 65176295
N-[(3-ethoxy-4-hexoxyphenyl)methyl]cyclopropanamine
CID 43278209
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 104796276

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine (CID 29222762) is N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine is CCCOc1ccc(CNC2CC2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine?
The InChIKey is GUYWVPYOPAUWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-2-7-16-13-6-3-10(8-12(13)14)9-15-11-4-5-11/h3,6,8,11,15H,2,4-5,7,9H2,1H3.
What are the key properties of N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine?
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine has a molecular weight of 284.20 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 29222762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).